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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Neurotensin receptor type 1
Species	Homo sapiens (Human)
Gene	NTSR1
Synonym	NTSR1 NTS1 receptor NTRH NTR1 NTR NT-R-1 NT-1R neurotensin receptor type 1 neurotensin receptor 1 (high affinity) Levocabastin-insensitive neurotensin receptor High-affinity levocabastine-insensitive neurotensin receptor [ Show all ]
Disease	Acute or chronic pain Alcohol use disorders Pain Inflammatory bowel disease Neurological disease
Length	418
Amino acid sequence	MRLNSSAPGTPGTPAADPFQRAQAGLEEALLAPGFGNASGNASERVLAAPSSELDVNTDIYSKVLVTAVYLALFVVGTVGNTVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLTLLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAVPMLFTMGEQNRSADGQHAGGLVCTPTIHTATVKVVIQVNTFMSFIFPMVVISVLNTIIANKLTVMVRQAAEQGQVCTVGGEHSTFSMAIEPGRVQALRHGVRVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTPFLYDFYHYFYMVTNALFYVSSTINPILYNLVSANFRHIFLATLACLCPVWRRRRKRPAFSRKADSVSSNHTLSSNATRETLY
UniProt	P30989
Protein Data Bank	N/A
GPCR-HGmod model	P30989
3D structure model	This predicted structure model is from GPCR-EXP P30989.
BioLiP	N/A
Therapeutic Target Database	T02728
ChEMBL	CHEMBL4123
IUPHAR	309
DrugBank	N/A

Ligand

Name	CHEMBL3099779
Molecular formula	C25H24N4O3
IUPAC name	(2S)-4-methyl-2-[(2-phenyl-1-quinolin-4-ylimidazole-4-carbonyl)amino]pentanoic acid
Molecular weight	428.492
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.5
Synonyms	BDBM50444954 MLS-0437327.0001
Inchi Key	BVSRWZIQRFETGU-FQEVSTJZSA-N
Inchi ID	InChI=1S/C25H24N4O3/c1-16(2)14-20(25(31)32)28-24(30)21-15-29(23(27-21)17-8-4-3-5-9-17)22-12-13-26-19-11-7-6-10-18(19)22/h3-13,15-16,20H,14H2,1-2H3,(H,28,30)(H,31,32)/t20-/m0/s1
PubChem CID	49837907
ChEMBL	CHEMBL3099779
IUPHAR	N/A
BindingDB	50444954
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<80000.0 nM	PMID24332089	BindingDB,ChEMBL

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